N-benzyl-2-[4-(3-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide

C19H16FN3O3 — CID 30564325

IUPACN-benzyl-2-[4-(3-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide
SMILESO=C(Cn1ccn(-c2cccc(F)c2)c(=O)c1=O)NCc1ccccc1
InChIInChI=1S/C19H16FN3O3/c20-15-7-4-8-16(11-15)23-10-9-22(18(25)19(23)26)13-17(24)21-12-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,21,24)
InChIKeyYVMIDTHYQDECDD-UHFFFAOYSA-N
MW353.35 g/mol
LogP1.45
Rot. Bonds5

About N-benzyl-2-[4-(3-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide

N-benzyl-2-[4-(3-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide (PubChem CID 30564325) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is N-benzyl-2-[4-(3-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(3-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide
PubChem CID30564325
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC NameN-benzyl-2-[4-(3-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide
SMILESO=C(Cn1ccn(-c2cccc(F)c2)c(=O)c1=O)NCc1ccccc1
InChIInChI=1S/C19H16FN3O3/c20-15-7-4-8-16(11-15)23-10-9-22(18(25)19(23)26)13-17(24)21-12-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,21,24)
InChIKeyYVMIDTHYQDECDD-UHFFFAOYSA-N
XLogP1.45
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 95921594
1-(3-fluorophenyl)-4-propylpyrazine-2,3-dione
CID 163349855
(3R)-N-benzyl-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methylbutanamide
CID 94079610
N-benzyl-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3,3-dimethylbutanamide
CID 50795844
N-benzyl-2-(6-fluoroindol-1-yl)acetamide
CID 116619757
2-(4-benzyl-2,3-dioxopyrazin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 6625783
2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 22520370
1-[2-(4-fluorophenyl)-2-oxoethyl]-4-phenylpyrazine-2,3-dione
CID 6625633
N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(3-oxo-1H-indazol-2-yl)acetamide
CID 131941375
N-benzyl-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727044
1-[(3-fluorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione
CID 7286783
3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-(3-phenylpropyl)propanamide
CID 46341246

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(3-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(3-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide (CID 30564325) is N-benzyl-2-[4-(3-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(3-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(3-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide is O=C(Cn1ccn(-c2cccc(F)c2)c(=O)c1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-(3-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The InChIKey is YVMIDTHYQDECDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c20-15-7-4-8-16(11-15)23-10-9-22(18(25)19(23)26)13-17(24)21-12-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,21,24).
What are the key properties of N-benzyl-2-[4-(3-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide?
N-benzyl-2-[4-(3-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide has a molecular weight of 353.35 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(3-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide is sourced from PubChem (CID 30564325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).